3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide

C22H14ClNO3S — CID 3922547

IUPAC3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1sc3ccccc3c1Cl)oc1ccccc12
InChIInChI=1S/C22H14ClNO3S/c1-26-18-10-14-12-6-2-4-8-16(12)27-17(14)11-15(18)24-22(25)21-20(23)13-7-3-5-9-19(13)28-21/h2-11H,1H3,(H,24,25)
InChIKeyGIIMXIHQVXQZDO-UHFFFAOYSA-N
MW407.88 g/mol
LogP6.72
Rot. Bonds3

About 3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide

3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide (PubChem CID 3922547) has the molecular formula C22H14ClNO3S and a molecular weight of 407.88 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide
PubChem CID3922547
Molecular FormulaC22H14ClNO3S
Molecular Weight407.88 g/mol
Exact Mass407.04
IUPAC Name3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1sc3ccccc3c1Cl)oc1ccccc12
InChIInChI=1S/C22H14ClNO3S/c1-26-18-10-14-12-6-2-4-8-16(12)27-17(14)11-15(18)24-22(25)21-20(23)13-7-3-5-9-19(13)28-21/h2-11H,1H3,(H,24,25)
InChIKeyGIIMXIHQVXQZDO-UHFFFAOYSA-N
XLogP6.72
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 2098410
2,4-dimethoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2884928
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
N-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7668783
4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 5144775
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide
CID 9098193
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
N-(2-methoxydibenzofuran-3-yl)-1-methyl-6-oxopyridine-2-carboxamide
CID 75390313
3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide
CID 3762695
3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 18376667
(1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide
CID 2225841

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide (CID 3922547) is 3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide is COc1cc2c(cc1NC(=O)c1sc3ccccc3c1Cl)oc1ccccc12.
What is the InChIKey of 3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is GIIMXIHQVXQZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO3S/c1-26-18-10-14-12-6-2-4-8-16(12)27-17(14)11-15(18)24-22(25)21-20(23)13-7-3-5-9-19(13)28-21/h2-11H,1H3,(H,24,25).
What are the key properties of 3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 407.88 g/mol, XLogP of 6.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 3922547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).